data_3f2u_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3f2u _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.939 0 N-CA-C 111.437 -0.665 . . . . 11.49 111.437 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -101.65 128.87 47.75 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 113.809 1.04 . . . . 15.699999999999999 113.809 -174.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -127.86 131.91 49.43 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.332 -0.855 . . . . 16.260000000000002 110.104 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.0 t -131.55 132.03 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.407 0 N-CA-C 105.691 -1.966 . . . . 12.470000000000001 105.691 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.35 126.31 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 106.722 -1.584 . . . . 11.890000000000001 106.722 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -92.55 -35.79 13.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 107.822 -1.177 . . . . 15.359999999999999 107.822 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -158.84 140.69 13.61 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-O 122.185 0.993 . . . . 11.17 111.536 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.71 110.28 22.4 Favored 'Isoleucine or valine' 0 C--O 1.267 2.011 0 CA-C-N 114.158 -1.383 . . . . 9.6799999999999997 107.38 170.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -88.04 -34.65 17.92 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-N 114.916 -1.038 . . . . 14.99 112.035 -170.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -168.28 165.81 12.84 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 123.596 0.56 . . . . 15.1 110.917 -168.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -136.83 145.8 44.89 Favored 'General case' 0 C--O 1.253 1.252 0 N-CA-C 107.17 -1.418 . . . . 12.109999999999999 107.17 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -139.1 155.58 47.79 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 107.932 -1.136 . . . . 7.7300000000000004 107.932 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.61 108.2 21.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.255 -1.387 . . . . 10.35 107.255 170.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 67' ' ' HOH . 15.4 m -121.49 127.94 75.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 C-N-CA 117.058 -1.857 . . . . 11.31 108.437 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.9 mttp 46.41 43.25 11.68 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-O 121.934 0.873 . . . . 14.6 111.469 -173.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 -5.36 52.62 Favored Glycine 0 CA--C 1.507 -0.408 0 CA-C-N 113.664 -1.607 . . . . 9.8399999999999999 116.656 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . . . -91.79 122.99 34.84 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 117.847 0.823 . . . . 7.8499999999999996 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.63 130.23 36.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 120.333 -0.547 . . . . 7.3200000000000003 111.369 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -134.74 150.18 50.54 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.609 -0.885 . . . . 13.02 108.609 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -119.18 140.13 50.68 Favored 'General case' 0 N--CA 1.483 1.2 0 O-C-N 124.575 1.172 . . . . 7.3799999999999999 109.297 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.81 121.49 27.39 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 124.974 1.421 . . . . 8.7200000000000006 109.672 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -116.91 135.17 53.93 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 115.551 -0.75 . . . . 9.1199999999999992 112.056 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -93.03 129.25 39.03 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.853 -1.166 . . . . 11.050000000000001 107.853 169.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -103.53 139.87 38.28 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 114.024 1.12 . . . . 8.7200000000000006 114.024 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.32 125.95 25.61 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 121.429 0.633 . . . . 15.52 111.0 174.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.13 11.19 83.91 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-N 115.177 -0.919 . . . . 6.0800000000000001 112.976 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -121.85 160.33 24.91 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.36 0.6 . . . . 18.710000000000001 111.101 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -72.05 157.3 38.04 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.124 -0.944 . . . . 9.8499999999999996 108.971 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.3 -30.84 66.96 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.188 -0.914 . . . . 13.25 111.599 168.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -56.09 -24.59 41.09 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 114.432 1.271 . . . . 8.1099999999999994 114.432 172.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -103.9 20.17 18.63 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.951 1.463 . . . . 10.58 114.951 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.64 143.97 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.127 -1.064 . . . . 12.59 108.127 170.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.0 p -129.41 148.11 51.29 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 120.424 -0.511 . . . . 9.2300000000000004 111.306 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -85.96 125.74 33.59 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.27 -0.423 . . . . 7.6399999999999997 110.221 169.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.63 138.3 30.96 Favored Pre-proline 0 CA--C 1.5 -0.951 0 CA-C-O 118.427 -0.797 . . . . 11.68 109.502 -172.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . 0.499 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 22.0 Cg_exo -62.87 142.86 90.16 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 O-C-N 123.461 1.242 . . . . 8.7599999999999998 110.989 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.01 -28.84 69.33 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 115.566 1.691 . . . . 10.43 115.566 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -42.59 -44.74 4.32 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 124.55 1.156 . . . . 15.199999999999999 113.941 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.27 -14.1 29.39 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 119.196 3.036 . . . . 19.829999999999998 119.196 178.812 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . . . -75.81 75.72 2.76 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-O 123.093 1.425 . . . . 14.869999999999999 113.101 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -85.3 68.26 10.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 113.772 -1.558 . . . . 17.359999999999999 110.318 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -141.77 77.25 19.13 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 123.956 0.902 . . . . 17.300000000000001 112.467 -164.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.14 -37.06 19.64 Favored 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 116.125 1.548 . . . . 17.199999999999999 116.125 -171.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . . . -69.69 -40.59 76.26 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.574 -0.899 . . . . 19.32 108.574 -175.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.29 -42.17 88.76 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.737 1.014 . . . . 18.329999999999998 113.737 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.19 -47.54 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 120.665 -0.414 . . . . 17.199999999999999 111.618 -177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.92 66.46 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 125.351 1.46 . . . . 15.539999999999999 111.621 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . . . -45.89 -51.52 12.99 Favored 'General case' 0 C--O 1.255 1.366 0 C-N-CA 124.029 0.932 . . . . 15.24 110.257 169.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.35 -50.95 61.83 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.581 -0.896 . . . . 18.0 108.581 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.7 mt -50.03 -42.77 50.18 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 115.878 1.807 . . . . 16.23 115.878 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 113.315 0.857 . . . . 17.100000000000001 113.315 -178.358 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . 0.453 ' O ' ' CG2' ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.939 0 N-CA-C 111.437 -0.665 . . . . 11.49 111.437 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -101.65 128.87 47.75 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 113.809 1.04 . . . . 15.699999999999999 113.809 -174.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -127.86 131.91 49.43 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.332 -0.855 . . . . 16.260000000000002 110.104 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.0 t -131.55 132.03 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.407 0 N-CA-C 105.691 -1.966 . . . . 12.470000000000001 105.691 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.35 126.31 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 106.722 -1.584 . . . . 11.890000000000001 106.722 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -92.55 -35.79 13.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 107.822 -1.177 . . . . 15.359999999999999 107.822 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -158.84 140.69 13.61 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-O 122.185 0.993 . . . . 11.17 111.536 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.71 110.28 22.4 Favored 'Isoleucine or valine' 0 C--O 1.267 2.011 0 CA-C-N 114.158 -1.383 . . . . 9.6799999999999997 107.38 170.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -88.04 -34.65 17.92 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-N 114.916 -1.038 . . . . 14.99 112.035 -170.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -168.28 165.81 12.84 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 123.596 0.56 . . . . 15.1 110.917 -168.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -136.83 145.8 44.89 Favored 'General case' 0 C--O 1.253 1.252 0 N-CA-C 107.17 -1.418 . . . . 12.109999999999999 107.17 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -139.1 155.58 47.79 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 107.932 -1.136 . . . . 7.7300000000000004 107.932 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.61 108.2 21.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.255 -1.387 . . . . 10.35 107.255 170.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 67' ' ' HOH . 15.4 m -121.49 127.94 75.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 C-N-CA 117.058 -1.857 . . . . 11.31 108.437 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.9 mttp 46.41 43.25 11.68 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-O 121.934 0.873 . . . . 14.6 111.469 -173.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 -5.36 52.62 Favored Glycine 0 CA--C 1.507 -0.408 0 CA-C-N 113.664 -1.607 . . . . 9.8399999999999999 116.656 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . . . -91.79 122.99 34.84 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 117.847 0.823 . . . . 7.8499999999999996 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.63 130.23 36.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 120.333 -0.547 . . . . 7.3200000000000003 111.369 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -134.74 150.18 50.54 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.609 -0.885 . . . . 13.02 108.609 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -119.18 140.13 50.68 Favored 'General case' 0 N--CA 1.483 1.2 0 O-C-N 124.575 1.172 . . . . 7.3799999999999999 109.297 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.81 121.49 27.39 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 124.974 1.421 . . . . 8.7200000000000006 109.672 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -116.91 135.17 53.93 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 115.551 -0.75 . . . . 9.1199999999999992 112.056 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -93.03 129.25 39.03 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.853 -1.166 . . . . 11.050000000000001 107.853 169.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -103.53 139.87 38.28 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 114.024 1.12 . . . . 8.7200000000000006 114.024 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.32 125.95 25.61 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 121.429 0.633 . . . . 15.52 111.0 174.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.13 11.19 83.91 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-N 115.177 -0.919 . . . . 6.0800000000000001 112.976 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -121.85 160.33 24.91 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.36 0.6 . . . . 18.710000000000001 111.101 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -72.05 157.3 38.04 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.124 -0.944 . . . . 9.8499999999999996 108.971 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.3 -30.84 66.96 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.188 -0.914 . . . . 13.25 111.599 168.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -56.09 -24.59 41.09 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 114.432 1.271 . . . . 8.1099999999999994 114.432 172.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -103.9 20.17 18.63 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.951 1.463 . . . . 10.58 114.951 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.64 143.97 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.127 -1.064 . . . . 12.59 108.127 170.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.0 p -129.41 148.11 51.29 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 120.424 -0.511 . . . . 9.2300000000000004 111.306 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -85.96 125.74 33.59 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.27 -0.423 . . . . 7.6399999999999997 110.221 169.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.63 138.3 30.96 Favored Pre-proline 0 CA--C 1.5 -0.951 0 CA-C-O 118.427 -0.797 . . . . 11.68 109.502 -172.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -62.87 142.86 90.16 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 O-C-N 123.461 1.242 . . . . 8.7599999999999998 110.989 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.01 -28.84 69.33 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 115.566 1.691 . . . . 10.43 115.566 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -42.59 -44.74 4.32 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 124.55 1.156 . . . . 15.199999999999999 113.941 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.27 -14.1 29.39 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 119.196 3.036 . . . . 19.829999999999998 119.196 178.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . . . -75.81 75.72 2.76 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-O 123.093 1.425 . . . . 14.869999999999999 113.101 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -85.3 68.26 10.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 113.772 -1.558 . . . . 17.359999999999999 110.318 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -141.77 77.25 19.13 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 123.956 0.902 . . . . 17.300000000000001 112.467 -164.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.14 -37.06 19.64 Favored 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 116.125 1.548 . . . . 17.199999999999999 116.125 -171.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . . . -69.69 -40.59 76.26 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.574 -0.899 . . . . 19.32 108.574 -175.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.29 -42.17 88.76 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.737 1.014 . . . . 18.329999999999998 113.737 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.19 -47.54 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 120.665 -0.414 . . . . 17.199999999999999 111.618 -177.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.92 66.46 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 125.351 1.46 . . . . 15.539999999999999 111.621 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . . . -45.89 -51.52 12.99 Favored 'General case' 0 C--O 1.255 1.366 0 C-N-CA 124.029 0.932 . . . . 15.24 110.257 169.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.35 -50.95 61.83 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.581 -0.896 . . . . 18.0 108.581 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.7 mt -50.03 -42.77 50.18 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 115.878 1.807 . . . . 16.23 115.878 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 113.315 0.857 . . . . 17.100000000000001 113.315 -178.358 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . 0.734 ' O ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . 0.616 ' O ' HG21 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.939 0 N-CA-C 111.437 -0.665 . . . . 11.49 111.437 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -101.65 128.87 47.75 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 113.809 1.04 . . . . 15.7 113.809 -174.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -127.86 131.91 49.43 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 121.332 -0.855 . . . . 16.26 110.104 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.0 t -131.55 132.03 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.407 0 N-CA-C 105.691 -1.966 . . . . 12.47 105.691 -172.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.35 126.31 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 106.722 -1.584 . . . . 11.89 106.722 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -92.55 -35.79 13.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 107.822 -1.177 . . . . 15.36 107.822 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -158.84 140.69 13.61 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-O 122.185 0.993 . . . . 11.17 111.536 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.7 t -91.71 110.28 22.4 Favored 'Isoleucine or valine' 0 C--O 1.267 2.011 0 CA-C-N 114.158 -1.383 . . . . 9.68 107.38 170.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -88.04 -34.65 17.92 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-N 114.916 -1.038 . . . . 14.99 112.035 -170.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -168.28 165.81 12.84 Favored 'General case' 0 C--O 1.208 -1.119 0 O-C-N 123.596 0.56 . . . . 15.1 110.917 -168.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -136.83 145.8 44.89 Favored 'General case' 0 C--O 1.253 1.252 0 N-CA-C 107.17 -1.418 . . . . 12.11 107.17 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -139.1 155.58 47.79 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 107.932 -1.136 . . . . 7.73 107.932 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.61 108.2 21.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.255 -1.387 . . . . 10.35 107.255 170.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 67' ' ' HOH . 15.4 m -121.49 127.94 75.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 C-N-CA 117.058 -1.857 . . . . 11.31 108.437 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.9 mttp 46.41 43.25 11.68 Favored 'General case' 0 C--O 1.253 1.282 0 CA-C-O 121.934 0.873 . . . . 14.6 111.469 -173.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.66 -5.36 52.62 Favored Glycine 0 CA--C 1.507 -0.408 0 CA-C-N 113.664 -1.607 . . . . 9.84 116.656 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . . . -91.79 122.99 34.84 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 117.847 0.823 . . . . 7.85 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.63 130.23 36.26 Favored 'Isoleucine or valine' 0 C--O 1.256 1.401 0 C-N-CA 120.333 -0.547 . . . . 7.32 111.369 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -134.74 150.18 50.54 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.609 -0.885 . . . . 13.02 108.609 177.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -119.18 140.13 50.68 Favored 'General case' 0 N--CA 1.483 1.2 0 O-C-N 124.575 1.172 . . . . 7.38 109.297 178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.81 121.49 27.39 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 124.974 1.421 . . . . 8.72 109.672 172.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -116.91 135.17 53.93 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 115.551 -0.75 . . . . 9.12 112.056 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -93.03 129.25 39.03 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.853 -1.166 . . . . 11.05 107.853 169.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -103.53 139.87 38.28 Favored 'General case' 0 C--O 1.2 -1.547 0 N-CA-C 114.024 1.12 . . . . 8.72 114.024 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.32 125.95 25.61 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 121.429 0.633 . . . . 15.52 111.0 174.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.13 11.19 83.91 Favored Glycine 0 N--CA 1.479 1.511 0 CA-C-N 115.177 -0.919 . . . . 6.08 112.976 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -121.85 160.33 24.91 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.36 0.6 . . . . 18.71 111.101 173.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.2 t -72.05 157.3 38.04 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.124 -0.944 . . . . 9.85 108.971 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -58.3 -30.84 66.96 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.188 -0.914 . . . . 13.25 111.599 168.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -56.09 -24.59 41.09 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 114.432 1.271 . . . . 8.11 114.432 172.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -103.9 20.17 18.63 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 114.951 1.463 . . . . 10.58 114.951 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.64 143.97 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.127 -1.064 . . . . 12.59 108.127 170.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.0 p -129.41 148.11 51.29 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 120.424 -0.511 . . . . 9.23 111.306 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -85.96 125.74 33.59 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.27 -0.423 . . . . 7.64 110.221 169.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -124.63 138.3 30.96 Favored Pre-proline 0 CA--C 1.5 -0.951 0 CA-C-O 118.427 -0.797 . . . . 11.68 109.502 -172.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.499 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 22.0 Cg_exo -62.87 142.86 90.16 Favored 'Trans proline' 0 CA--C 1.55 1.305 0 O-C-N 123.461 1.242 . . . . 8.76 110.989 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.01 -28.84 69.33 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 115.566 1.691 . . . . 10.43 115.566 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -42.59 -44.74 4.32 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 124.55 1.156 . . . . 15.2 113.941 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.27 -14.1 29.39 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 119.196 3.036 . . . . 19.83 119.196 178.812 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . . . -75.81 75.72 2.76 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-O 123.093 1.425 . . . . 14.87 113.101 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . -85.3 68.26 10.43 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 113.772 -1.558 . . . . 17.36 110.318 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 58.0 m -141.77 77.25 19.13 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 123.956 0.902 . . . . 17.3 112.467 -164.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -67.14 -37.06 19.64 Favored 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 116.125 1.548 . . . . 17.2 116.125 -171.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . . . -69.69 -40.59 76.26 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.574 -0.899 . . . . 19.32 108.574 -175.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.29 -42.17 88.76 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.737 1.014 . . . . 18.33 113.737 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.5 mt -70.19 -47.54 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 C-N-CA 120.665 -0.414 . . . . 17.2 111.618 -177.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.52 -45.92 66.46 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 125.351 1.46 . . . . 15.54 111.621 174.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . . . -45.89 -51.52 12.99 Favored 'General case' 0 C--O 1.255 1.366 0 C-N-CA 124.029 0.932 . . . . 15.24 110.257 169.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.35 -50.95 61.83 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 108.581 -0.896 . . . . 18.0 108.581 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 42.7 mt -50.03 -42.77 50.18 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 115.878 1.807 . . . . 16.23 115.878 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 113.315 0.857 . . . . 17.1 113.315 -178.358 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . 0.734 ' O ' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . 0.616 ' O ' HG21 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_